Yazar "Toy, Mehmet" için WoS İndeksli Yayınlar Koleksiyonu listeleme
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DFT QUANTUM CHEMICAL STUDIES ON 1-[N-(2-PYRIDYL)AMINOMETHYLIDENE]-2(1H)-NAPHTALENONE
Toy, Mehmet; Tanak, Hasan (WORLD SCIENTIFIC PUBL CO PTE LTD, 2012)Quantum chemical calculations of the structure, molecular electrostatic potential and thermodynamic functions have been performed using the density functional (DFT/B3LYP) method with the 6-311++G(d,p) basis set for the ... -
Identification of structural and spectral properties of synthesized 3-(p-isopropylphenyl)-5-(o,m,p-nitrophenyl)-1-phenylformazans: A combined experimental and DFT study
Toy, Mehmet; Tanak, Hasan; Senoz, Hulya (ELSEVIER SCI LTD, 2015)The fomazan compounds 3-(p-isopropylphenyl)-5-(o,m,p-nitrophenyl)-5-phenylformazans (1-3) have been synthesized and characterized by FTIR, UV Vis and H-1 NMR spectroscopic techniques and elemental analysis. Quantum chemical ... -
Molecular structure and vibrational and chemical shift assignments of 3 '-chloro-4-dimethylamino azobenzene by DFT calculations
Toy, Mehmet; Tanak, Hasan (PERGAMON-ELSEVIER SCIENCE LTD, 2016)In the present work, a combined experimental and theoretical study on ground state molecular structure, spectroscopic and nonlinear optical properties of azo compound 3'-chloro-4-dimethlamino azobenzene are reported. The ... -
Molecular structure and vibrational assignment of 1-[N-(2-pyridyl) aminomethylidene}-2(1H)-Naphtalenone by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations
Tanak, Hasan; Toy, Mehmet (PERGAMON-ELSEVIER SCIENCE LTD, 2016)The molecular geometry and vibrational frequencies of 1-[N-(2-pyridyl)aminomethylidene)-2(1H)-Naphtalenone lathe ground state have been calculated by using the Hartree-Fock (HF) and density functional method (B3LYP) with ... -
Molecular structure, spectroscopic and quantum chemical studies on 2'-chloro-4-dimethlamino azobenzene
Tanak, Hasan; Toy, Mehmet (ELSEVIER SCIENCE BV, 2014)The molecular geometry, vibrational frequencies, gauge including atomic orbital (GIAO) H-1 chemical shift values of 2'-chloro-4-dimethlamino azobenzene in the ground state have been calculated using the density functional ... -
Molecular structure, vibrational spectra, NLO and MEP analysis of bis[2-hydroxy-kappa O-N-(2-pyridyl)-1-naphthaldiminato-kappa N]zinc(II)
Tanak, Hasan; Toy, Mehmet (PERGAMON-ELSEVIER SCIENCE LTD, 2013)The molecular geometry and vibrational frequencies of bis[2-hydroxy-kappa O-N-(2-pyridyl)-1-naphthaldiminato-kappa N]zinc(II) in the ground state have been calculated by using the Hartree-Fock (HF) and density functional ... -
Synthesis, Spectroscopic (FT-IR, 1H NMR, and UV-Vis) and Nonlinear Optical Properties of a Novel 3-(p-Cyanophenyl)-5-(o, m, p-Iodophenyl)-1-Phenylformazan: Experimental and DFT Studies
Toy, Mehmet; Vural, Hatice; Senoz, Hulya (Taylor & Francis Ltd, 2023)Three new compounds, 3-(p-cyanophenyl)-5-(o,m,p-iodophenyl)-1-phenylformazans (o, m, p-CNIF), were synthesized. The spectral analyses for o, m, p-CNIF were also carried out by FT-IR, UV-Vis, and NMR spectroscopic techniques. ...